SCHEMBL6824628

SCHEMBL6824628

CC(C)[C@H](NC(=O)Nc1ccccc1F)C(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6825319 0.89 PKM (0.44) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL6827598 0.89 PKM (0.37) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL6827631 0.89 TAS1R3 (0.47) ALDH1A1POLBLMNASMN1; SMN2EPHX2
SCHEMBL6822126 0.87 POLB (0.37) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL6822364 0.87 ANPEP (0.48) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL6825493 0.87 TAS1R3 (0.50) ALDH1A1POLBLMNASMN1; SMN2EPHX2
SCHEMBL6825963 0.86 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2EPHX2KMT2A
SCHEMBL6822301 0.86 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2EPHX2KMT2A
SCHEMBL6822415 0.85 TDP1 (0.48) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL6827728 0.82 HDAC1 (0.47) POLBLMNASMN1; SMN2KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO claimed
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed